methyl 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]isonipecotic acid methyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-23-16(22)11-4-6-20(7-5-11)10-15(21)19-13-3-2-12(9-18)14(17)8-13/h2-3,8,11H,4-7,10H2,1H3,(H,19,21)